(phenylmethyl) 2-[4-[2-(1-adamantyl)ethanoyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[2-(1-adamantyl)ethanoyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-(1-adamantyl)acetyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[2-(1-adamantyl)-1-oxoethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[2-(1-adamantyl)acetyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-(1-adamantyl)acetyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC23CC4CC(C2)CC(C4)C3)CC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC23CC4CC(C2)CC(C4)C3)CC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H36N2O3/c29-24(17-26-14-21-11-22(15-26)13-23(12-21)16-26)28-8-4-7-27(9-10-28)18-25(30)31-19-20-5-2-1-3-6-20/h1-3,5-6,21-23H,4,7-19H2